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Information card for entry 7014932
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Coordinates | 7014932.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (Ba(ttfpz)2(thf)4) |
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Chemical name | [Ba(ttfpz)2(thf)4] |
Formula | C32 H40 Ba F6 N4 O4 S2 |
Calculated formula | C32 H40 Ba F6 N4 O4 S2 |
Title of publication | Divalent metal complexes (Ca, Sr, Ba, Yb) of the unsymmetrical 3-(2'-thienyl)-5-(trifluoromethyl)pyrazolate ligand. |
Authors of publication | Deacon, Glen B.; Junk, Peter C.; Urbatsch, Aron |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 7 |
Pages of publication | 1601 - 1609 |
a | 18.766 ± 0.0003 Å |
b | 10.2146 ± 0.0002 Å |
c | 19.262 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3692.28 ± 0.12 Å3 |
Cell temperature | 123 ± 1 K |
Ambient diffraction temperature | 123 ± 1 K |
Number of distinct elements | 7 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0365 |
Residual factor for significantly intense reflections | 0.0339 |
Weighted residual factors for significantly intense reflections | 0.0958 |
Weighted residual factors for all reflections included in the refinement | 0.0986 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7014932.html
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